Mol:FLIAACNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.0422 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9296 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9296 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3732 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7391 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7391 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3339 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3339 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9287 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9287 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9287 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9287 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3732 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5983 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
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| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 15 1 0 0 0 0 | + | 28 15 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNP0007 | + | ID FLIAACNP0007 |
| − | KNApSAcK_ID C00009923 | + | KNApSAcK_ID C00009923 |
| − | NAME Gancaonin H;5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone | + | NAME Gancaonin H;5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone |
| − | CAS_RN 126716-35-6 | + | CAS_RN 126716-35-6 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES Oc(c14)c(CC=C(C)C)c(cc(OC=C(C(=O)4)c(c3)cc(c2c3O)C=CC(O2)(C)C)1)O | + | SMILES Oc(c14)c(CC=C(C)C)c(cc(OC=C(C(=O)4)c(c3)cc(c2c3O)C=CC(O2)(C)C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7391 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7391 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7081 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5235 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7081 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
21 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 15 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FLIAACNP0007
KNApSAcK_ID C00009923
NAME Gancaonin H;5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone
CAS_RN 126716-35-6
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES Oc(c14)c(CC=C(C)C)c(cc(OC=C(C(=O)4)c(c3)cc(c2c3O)C=CC(O2)(C)C)1)O
M END
